REMARK  Name = BDB033099
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.079  -1.506   0.877  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1        0.924  -0.823  -0.049  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1        1.795  -1.912  -0.435  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1        1.114  -3.124  -0.385  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1        1.506  -4.192  -0.828  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1       -0.227  -2.902   0.273  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1       -1.978  -0.612  -1.074  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.202  -0.422   0.117  0.00  0.00    +0.248 C 
ATOM      9  N   LIG    1       -1.326  -0.801   1.106  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1       -1.617  -0.628   2.066  0.00  0.00    +0.149 HD
BRANCH   8  11
ATOM     11  C   LIG    1       -3.473   0.247   0.544  0.00  0.00    +0.079 A 
ATOM     12  C   LIG    1       -3.831   0.504   1.877  0.00  0.00    +0.129 A 
ATOM     13  C   LIG    1       -5.039   1.140   2.180  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1       -5.905   1.524   1.154  0.00  0.00    +0.016 A 
ATOM     15  C   LIG    1       -5.580   1.272  -0.185  0.00  0.00    +0.056 A 
ATOM     16  C   LIG    1       -4.359   0.640  -0.476  0.00  0.00    +0.029 A 
BRANCH  15  17
ATOM     17  C   LIG    1       -6.500   1.699  -1.305  0.00  0.00    +0.417 C 
ATOM     18  F   LIG    1       -7.777   1.927  -0.888  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1       -6.592   0.773  -2.298  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -6.089   2.853  -1.898  0.00  0.00    -0.166 F 
ENDBRANCH  15  17
BRANCH  12  21
ATOM     21  O   LIG    1       -3.007   0.139   2.912  0.00  0.00    -0.506 OA
ATOM     22  H   LIG    1       -3.425   0.397   3.754  0.00  0.00    +0.292 HD
ENDBRANCH  12  21
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  23
ATOM     23  C   LIG    1        2.928  -1.718  -1.320  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.921  -0.720  -0.780  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        4.035   0.560  -1.343  0.00  0.00    +0.017 A 
ATOM     26  C   LIG    1        4.954   1.494  -0.833  0.00  0.00    +0.055 A 
ATOM     27  C   LIG    1        5.751   1.133   0.263  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1        5.642  -0.136   0.831  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        4.732  -1.057   0.313  0.00  0.00    +0.005 A 
BRANCH  26  30
ATOM     30  C   LIG    1        5.050   2.875  -1.433  0.00  0.00    +0.417 C 
ATOM     31  F   LIG    1        4.121   3.727  -0.917  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        4.858   2.885  -2.782  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        6.258   3.471  -1.227  0.00  0.00    -0.166 F 
ENDBRANCH  26  30
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 7